Browse entries in the PDBbind-CN Database

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Related entries of code: 4twy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2alvRCSB PDB    PDBbind306aa, >2ALV_1|Chain... at 98%
2gz7RCSB PDB    PDBbind306aa, >2GZ7_1|Chain... at 99%
2gz8RCSB PDB    PDBbind306aa, >2GZ8_1|Chain... at 99%
2hobRCSB PDB    PDBbind306aa, >2HOB_1|Chain... at 99%
2op9RCSB PDB    PDBbind302aa, >2OP9_1|Chains... at 99%
2qiqRCSB PDB    PDBbind301aa, >2QIQ_1|Chain... at 99%
2v6nRCSB PDB    PDBbind306aa, >2V6N_1|Chain... at 99%
2vj1RCSB PDB    PDBbind309aa, >2VJ1_1|Chains... *
2z94RCSB PDB    PDBbind306aa, >2Z94_1|Chain... at 99%
2z9gRCSB PDB    PDBbind306aa, >2Z9G_1|Chain... at 99%
2zu4RCSB PDB    PDBbind306aa, >2ZU4_1|Chain... at 99%
2zu5RCSB PDB    PDBbind306aa, >2ZU5_1|Chain... at 99%
3atwRCSB PDB    PDBbind306aa, >3ATW_1|Chains... at 98%
3avzRCSB PDB    PDBbind306aa, >3AVZ_1|Chain... at 98%
3aw0RCSB PDB    PDBbind306aa, >3AW0_1|Chain... at 98%
3d62RCSB PDB    PDBbind299aa, >3D62_1|Chain... at 100%
3sn8RCSB PDB    PDBbind306aa, >3SN8_1|Chain... at 99%
3snaRCSB PDB    PDBbind301aa, >3SNA_1|Chain... at 99%
3snbRCSB PDB    PDBbind306aa, >3SNB_1|Chain... at 99%
3sncRCSB PDB    PDBbind306aa, >3SNC_1|Chain... at 99%
3sndRCSB PDB    PDBbind306aa, >3SND_1|Chains... at 99%
3v3mRCSB PDB    PDBbind306aa, >3V3M_1|Chain... at 99%
3vb4RCSB PDB    PDBbind306aa, >3VB4_1|Chains... at 99%
3vb5RCSB PDB    PDBbind306aa, >3VB5_1|Chains... at 99%
3vb6RCSB PDB    PDBbind306aa, >3VB6_1|Chains... at 99%
3vb7RCSB PDB    PDBbind306aa, >3VB7_1|Chains... at 99%
4mdsRCSB PDB    PDBbind303aa, >4MDS_1|Chain... at 99%
4twwRCSB PDB    PDBbind306aa, >4TWW_1|Chains... at 98%
4wy3RCSB PDB    PDBbind306aa, >4WY3_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4twy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSARS-3CL protease
Ligand Name3BL
EC.Number E.C.3.4.22.69
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=108uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Med.Chem. Vol. 23: pp. 876-890
Ligand Properties
Formula C29H35N4O2
Molecular Weight 471.614
Exact Mass 471.276
No. of atoms 70
No. of bonds 74
Polar Surface Area 82.67
LOGP Value 4.74      (Computed with XLOGP3)
3.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P0C6X7  
Entrez Gene IDNCBI Entrez Gene ID: 1489680  
ASDInformation of known allosteric effects of PDB entries
 
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